Glycoside
GD027261
Name:
NoneFormula:
C36H41O11N5Smiles:
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.33 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 719.75 | Num_heavy_atoms: | 52 |
| TPSA: | 265.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD17937
Formula: C30H31O6N5
Smiles:
NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.2 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 557.61 | Num_heavy_atoms: | 41 |
| TPSA: | 186.64 | NumAromaticRings: | 4 |
